- InChI
- InChI=1S/C18H22N2S/c1-3-19(4-2)13-14-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12H,3-4,13-14H2,1-2H3
- InChI Key
- LURMIKVZJSMXQE-UHFFFAOYSA-N
- Formula
- C18H22N2S
- SMILES
- CCN(CC)CCN1c2ccccc2Sc2ccccc21
- Molecular Weight1
- 298.45
- CAS
- 60-91-3
- Other Names
-
- 10H-Phenothiazine-10-ethanamine, N,N-diethyl-
- Phenothiazine, 10-[2-(diethylamino)ethyl]-
- Casantin
- Dolisina
- Eazamine
- Fourneau 2987
- N-[2'-(Diethylamino)ethyl]dibenzo-p-thiazine
- 10-(2-Diethylaminoethyl)phenothiazine
- Diethazin
- N-(2'-Diethylaminoethyl)dibenzoparathiazine
- Lodibon
- 2987 R.P.
- Eazaminum
- Ethylemin
- Parkazin
- RP-2987
- 10(Beta-diethylaminoethyl)-phenothiazine
- N-(Diethylaminoethyl)thiodiphenylamine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6271 | Relay (1.0) Calculated Property | |
| ΔfG° | 384.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 193.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 ± 0.07 | eV | NIST |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.631 | Crippen Calculated Property | |
| McVol | 242.410 | ml/mol | McGowan Calculated Property |
| Pc | 2013.83 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2377.00; 2380.00] |
|
|
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2377.00 | NIST | |
| Inp | 2377.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Tboil | 688.36 | K | Relay (1.0) Calculated Property |
| Tc | 917.91 | K | Relay (1.0) Calculated Property |
| Tfus | 340.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.863 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Diethazine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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